Table 3. Average values of tyrosinase and elastase using AutoDock Vina and Molegro Virtual Docker
Compound name | Tyrosinase (PDB:2Y9X) | Elastase (PDB:7EST) | Lipinski’s rule of five |
Control | 67.89986 | 61.84324 | |
GPA | 55.99496 | 47.00232 | PASS |
GNP | 65.74899 | 62.65948 | PASS |
GPS | 87.51872 | 76.70225 | PASS |
GGB | 68.27113 | 61.03447 | VIOLATION |
GDS | 70.48994 | 59.92013 | VIOLATION |
SME | 76.71915 | 75.91846 | VIOLATION |
HGP | 93.57792 | 85.95508 | VIOLATION |
CGG | 91.66767 | 86.13069 | VIOLATION |
FGP | 68.85254 | 60.84204 | VIOLATION |
JAF | 62.03507 | 57.83273 | PASS |
JAD | 68.46965 | 60.27131 | PASS |
JAB | 71.32635 | 61.85784 | PASS |
JAJ | 56.41969 | 43.34558 | PASS |
JOD | 58.07885 | 45.91516 | PASS |
GDA | 68.81359 | 64.54808 | PASS |
PCA | 82.52835 | 73.47433 | PASS |
JAH | 53.31177 | 40.77021 | VIOLATION |
CCC | 70.87862 | 62.27633 | PASS |
JAA | 85.62881 | 80.52816 | PASS |
JSC | 56.93844 | 55.29492 | VIOLATION |
MDJ | 58.12774 | 55.85909 | VIOLATION |
HEA | 90.95614 | 87.10047 | VIOLATION |
RUT | 72.29429 | 72.40442 | VIOLATION |
QBG | 64.16454 | 63.32021 | VIOLATION |
CCT | 91.05485 | 96.62784 | PASS |
CRA | 57.36098 | 46.86606 | VIOLATION |
QNA | 65.96051 | 58.72627 | PASS |
TOG | 65.12249 | 60.50037 | PASS |
HEG | 71.19175 | 68.16901 | PASS |
CQA | 55.70567 | 47.42834 | PASS |
PTA | 74.17615 | 66.8742 | PASS |
CGA | 93.3795 | 76.74056 | PASS |
DQA | 64.05092 | 56.65526 | VIOLATION |
LLA | 53.25993 | 45.22201 | PASS |
PDA | 64.42768 | 53.55055 | VIOLATION |
LNA | 73.09497 | 67.96053 | PASS |
AUA | 57.12565 | 48.14711 | PASS |
PMA | 58.33085 | 52.29047 | PASS |
EPA | 66.38575 | 80.93525 | VIOLATION |